SCHEMBL28705153

SCHEMBL28705153

BrCCc1cc(Br)ccc1Oc1ccc(Br)cc1CCBr

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
ALDH1A1 P00352 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
TSHR P16473 1/20 0.44
SLC6A4 P31645 4/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTR2A P28223 1/20 0.40
KCNH2 Q12809 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31469118 0.84 KDM4E (0.53) TDP1ALDH1A1L3MBTL1MEN1LMNA
SCHEMBL6488941 0.84 KDM4E (0.53) TDP1ALDH1A1L3MBTL1MEN1LMNA
SCHEMBL30468149 0.80 SLC6A4 (0.38) MAPK1TDP1ALDH1A1L3MBTL1SLC6A4
SCHEMBL11804777 0.78 SLC6A4 (0.40) MAPK1ALDH1A1TSHRSLC6A4SLC6A2
SCHEMBL6297379 0.78 SLC6A4 (0.45) SLC6A4SLC6A2SLC6A3LMNAMAPT
SCHEMBL2430370 0.78 SLC6A4 (0.43) SLC6A4SLC6A2SLC6A3HTR2AKCNH2
SCHEMBL29029436 0.77 PTGDR2 (0.61) MAPK1TDP1ALDH1A1L3MBTL1TSHR
SCHEMBL1849118 0.77 MAPK1 (0.52) MAPK1TDP1ALDH1A1L3MBTL1TSHR
SCHEMBL27402118 0.76 CCR5 (0.60) ALDH1A1SLC6A4LMNAHTTSMN1; SMN2
SCHEMBL4447957 0.76 HSP90AA1 (0.39) MAPK1TDP1ALDH1A1L3MBTL1TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114057626-B Indole-2, 3-dione derivative, preparation method thereof and anti-liver cancer drug for inhibiting RECQL4 specific expression 山东第一医科大学(山东省医学科学院) 2023-06-30 CN disclosed
CN-114057626-A Indole-2, 3-dione derivative, preparation method thereof and anti-liver cancer drug for inhibiting RECQL4 specific expression 山东第一医科大学(山东省医学科学院) 2022-02-18 CN disclosed